GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM25992 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C110H192N6O57 charge 0 mass 2509.23098 reference lipidmapsM:LMSP0504BN01 InChIKey SQCODDCUVKXQLN-QBJMQQACSA-N InChI InChI=1S/C110H192N6O57/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-55(131)54(116-66(132)36-34-32-30-28-26-24-22-20-18-16-14-12-10-2)46-152-105-87(148)85(146)91(64(45-125)163-105)165-107-88(149)96(79(140)61(42-122)160-107)170-103-70(114-52(7)129)93(76(137)59(40-120)158-103)167-109-90(151)97(81(142)65(164-109)47-153-100-69(113-51(6)128)92(75(136)58(39-119)155-100)166-108-89(150)95(78(139)62(43-123)161-108)169-101-67(111-49(4)126)82(143)73(134)56(37-117)156-101)171-104-71(115-53(8)130)94(77(138)60(41-121)159-104)168-110-99(173-106-86(147)84(145)72(133)48(3)154-106)98(80(141)63(44-124)162-110)172-102-68(112-50(5)127)83(144)74(135)57(38-118)157-102/h33,35,48,54-65,67-110,117-125,131,133-151H,9-32,34,36-47H2,1-8H3,(H,111,126)(H,112,127)(H,113,128)(H,114,129)(H,115,130)(H,116,132)/b35-33+/t48?,54-,55+,56?,57?,58?,59?,60?,61?,62?,63?,64?,65?,67?,68?,69?,70?,71?,72+,73-,74-,75+,76+,77+,78-,79-,80-,81-,82+,83+,84?,85+,86-,87?,88?,89?,90?,91+,92+,93+,94+,95-,96-,97-,98-,99?,100+,101-,102+,103-,104-,105+,106+,107-,108-,109-,110-/m0/s1 SMILES CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)[C@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@@H]7OC(CO)[C@H](O)[C@H](O)C7NC(C)=O)C6O)C5NC(C)=O)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O)[C@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@H]7OC(CO)[C@H](O)[C@H](O)C7NC(C)=O)C6O[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)C5NC(C)=O)C4O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph